MMsINC Database Search


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MMsINC code: MMs03463369

Type: Neutral
Formula: C₂₀H₂₃FN₆O

SMILES:

Fc1cc2cc([nH]c2cc1)C(=O)N1CCN(CC1)c1ncncc1NC(C)C

InChI:

InChI=1/C20H23FN6O/c1-13(2)24-18-11-22-12-23-19(18)26-5-7-27(8-6-26)20(28)17-10-14-9-15(21)3-4-16(14)25-17/h3-4,9-13,24-25H,5-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.855 kcal/mol

Physical Properties
Molecular Weight: 382.443 g/mol	logS: -3.69841	SlogP: 2.8797	Reactive groups: 0

Topological Properties
Globularity: 0.0990349	Sterimol/B1: 2.3057	Sterimol/B2: 2.91271	Sterimol/B3: 6.33578
Sterimol/B4: 6.59325	Sterimol/L: 17.9591

Surface and Volume Properties
Accessible surface: 648.685	Positive charged surface: 436.453	Negative charged surface: 206.982	Volume: 360.625
Hydrophobic surface: 493.43	Hydrophilic surface: 155.255

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.